Basic information
- CAS
773-82-0- Standard SMILES
N#Cc1c(F)c(F)c(F)c(F)c1F- InChIKey
YXWJGZQOGXGSSC-UHFFFAOYSA-N- Molecular formula
- C7F5N
- Average molar mass
- 193.07 g/mol
- Monoisotopic mass
- 192.9950901
Names & identifiers
- Preferred name
- Pentafluorobenzonitrile
- IUPAC
- 2,3,4,5,6-pentafluorobenzonitrile
- English name
- Pentafluorobenzonitrile
- Molecular formula
- C7F5N
- Molecular weight
- 193.07
Names & synonyms
Pentafluorobenzonitrile773-82-02,3,4,5,6-PentafluorobenzonitrilePerfluorobenzonitrileBenzonitrile, pentafluoro-Pentafluorocyanobenzene68CN7ME67XBenzonitrile, 2,3,4,5,6-pentafluoro-EINECS 212-259-9NSC 88294NSC-88294DTXSID9061126
Show more names
2,3,4,5,6-PentafLPentafluoronitrilePentafluorobenzonitrpentaflurobrombenzeneLABOTEST-BB LT00159675Pentefluorobenzonitrilepentafluoro-benzonitril
RefChem:859804DTXCID4047969212-259-9C7F5NCyanopentafluorobenzeneMFCD000017752,3,4,5,6-pentafluorobenzenecarbonitrileNSC88294
Database identifiers
- CAS
773-82-0- PubChem CID
- 69882
- DTXSID
DTXSID9061126- UNII
- 68CN7ME67X
- EC Number
- 212-259-9
- Nikkaji
- J100G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 2.4 °C · 2.4 °C
- Boiling point
- 162 · 162-164 °C(lit.)
- Density
- 1.532 g/mL · 1.532 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.442(lit.)
- Flash point
- 85 °F · 85 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- BRN
- 1913453 · 1913453
- Exposure limits
- 25 mg/m3 · NIOSH: IDLH 25 mg/m3
- InChI
- InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
- InChIKey
- YXWJGZQOGXGSSC-UHFFFAOYSA-N
- SMILES
- C(#N)C1=C(F)C(F)=C(F)C(F)=C1F
- CAS DataBase Reference
- 773 · 773-82-0(CAS DataBase Reference)
- FDA UNII
- 68 CN7ME67X · 68CN7ME67X
- NIST Chemistry Reference
- Benzonitrile, pentafluoro-(773-82-0)
- EPA Substance Registry System
- Pentafluorobenzonitrile (773-82-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS02
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335-H226
- Precautionary statements
- 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,F,T
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Flammable
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29269095 · 29269095
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPentafluorobenzonitrile: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29269095
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS02
- hazard_code
- Xi,F,T
- hazard_note
- Irritant/Flammable
- safety_code
- 16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335-H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 2,3,4,5,6-pentafluoro-: ACTIVE
Applications
UsesPentafluorobenzonitrile is useful as a catalyst in organic reactions, and as well is useful in liquid-phase exfoliation of graphite for solubilized graphene.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上氟科技021-65170832 15601903708 · [email protected]
越林试剂021-62960152 · [email protected]
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深圳睿迅光电材料科技有限公司0755-26718755 13266723223 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
天津安浩生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
上海凯赛化工有限公司021-33516722 13701817869 · [email protected]
广州市慈铭生物科技有限公司020-38082199,29065168,38082986,29878298,29866629,4000192398
Related reactions
7 records
Compound notes
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